1-adamantyl-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methanone hydrochloride

Systemtic Name: 1-adamantyl-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methanone hydrochloride Openeye Name: 1-adamantyl-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]methanone hydrochloride CAS Name: 1-adamantyl-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: 1-adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone hydrochloride Traditional Name: 1-adamantyl-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]methanone hydrochloride Formula: C25H34ClN5O3 MolecularWeight: 488.02216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)N)OC.Cl

InChI

InChI=1S/C25H33N5O3.ClH/c1-32-20-10-18-19(11-21(20)33-2)27-24(28-22(18)26)30-5-3-29(4-6-30)23(31)25-12-15-7-16(13-25)9-17(8-15)14-25;/h10-11,15-17H,3-9,12-14H2,1-2H3,(H2,26,27,28);1H